6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide

C20H17F3N4O — CID 109371999

IUPAC6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2c(F)cccc2F)cc(C(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C20H17F3N4O/c1-12-25-17(20(28)24-10-9-13-5-7-14(21)8-6-13)11-18(26-12)27-19-15(22)3-2-4-16(19)23/h2-8,11H,9-10H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyGCTZSYXOSLONJJ-UHFFFAOYSA-N
MW386.38 g/mol
LogP3.92
Rot. Bonds6

About 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide

6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109371999) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109371999
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2c(F)cccc2F)cc(C(=O)NCCc2ccc(F)cc2)n1
InChIInChI=1S/C20H17F3N4O/c1-12-25-17(20(28)24-10-9-13-5-7-14(21)8-6-13)11-18(26-12)27-19-15(22)3-2-4-16(19)23/h2-8,11H,9-10H2,1H3,(H,24,28)(H,25,26,27)
InChIKeyGCTZSYXOSLONJJ-UHFFFAOYSA-N
XLogP3.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371993
6-(4-fluoroanilino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109371585
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109372001
6-(2,6-difluoroanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846697
N-[2-(cyclohexen-1-yl)ethyl]-6-(2,6-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109364617
6-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371990
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109372800
6-(2,4-difluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372241
6-(3-fluoroanilino)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372240
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122201
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366361
6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373516

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide (CID 109371999) is 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2c(F)cccc2F)cc(C(=O)NCCc2ccc(F)cc2)n1.
What is the InChIKey of 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is GCTZSYXOSLONJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-12-25-17(20(28)24-10-9-13-5-7-14(21)8-6-13)11-18(26-12)27-19-15(22)3-2-4-16(19)23/h2-8,11H,9-10H2,1H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109371999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).